Browsing CypCompounds in CypBoM Training Set

*Bonds of Metabolism (BoMs) are listed for each cytochrome P450 (CYP) enzyme

Displaying compounds 1 - 25 of 679 in total
CypComp ID Name Structure ImageCYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
CC02067(R)-WarfarinQtxvavxcbmybjw oahllokosa n
  • <22,H;Hydroxylation;R1>
  • <20,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • <21,H;Hydroxylation;R1>
  • <22,H;Hydroxylation;R2>
  • <22,H;Hydroxylation;R1>
  • <23,H;Hydroxylation;R2>
  • <21,H;Hydroxylation;R3>
  • <22,H;Hydroxylation;R1>
  • <23,H;Hydroxylation;R2>
  • <21,H;Hydroxylation;R3>
  • <20,H;Hydroxylation;R4>
  • Not Available
  • Not Available
  • <23,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R2>
CC02203(S)-WarfarinQtxvavxcbmybjw hnnxbmfysa n
  • Not Available
  • Not Available
  • Not Available
  • <21,H;Hydroxylation;R1>
  • <22,H;Hydroxylation;R2>
  • <21,H;Hydroxylation;R1>
  • <22,H;Hydroxylation;R2>
  • <23,H;Hydroxylation;R3>
  • <21,H;Hydroxylation;R1>
  • <22,H;Hydroxylation;R2>
  • <23,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • <7,H;Hydroxylation;R1>
  • <21,H;Hydroxylation;R2>
CC023181,1-Dichloro-2,2,2-trifluoroethaneOhmhbgpwchtmqe uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <1,H;Oxidation;R1>
  • <1,6;Cleavage;R1>
  • <1,H;Oxidation;R2>
  • <1,7;Cleavage;R2>
  • Not Available
CC018021,2,4-TrichlorobenzenePbkoneoxtcpafi uhfffaoysa n
  • <3,H;Hydroxylation;R1>
  • <4,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <3,H;Hydroxylation;R1>
  • <3,H;Hydroxylation;R1>
  • <4,H;Hydroxylation;R2>
  • <3,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R2>
CC020721,2-DibromoethanePaazparnphgikf uhfffaoysa n
  • Not Available
  • <1,4;Cleavage;R1>
  • <1,H;Oxidation;R1>
  • <2,3;Cleavage;R2>
  • <2,H;Oxidation;R2>
  • <1,4;Cleavage;R1>
  • <1,H;Oxidation;R1>
  • <2,3;Cleavage;R2>
  • <2,H;Oxidation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <1,4;Cleavage;R1>
  • <1,H;Oxidation;R1>
  • <2,3;Cleavage;R2>
  • <2,H;Oxidation;R2>
  • Not Available
CC023391,4-CineoleRffotvcvtjutad aoooyvtpsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <4,H;Hydroxylation;R1>
  • <8,H;Hydroxylation;R2>
CC023401,8-CineoleWeegylxzbrqimu waaghkossa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <1,H;Hydroxylation;R1>
  • <5,H;Hydroxylation;R2>
CC018031-NitropyreneAlrlpdgcpyivhp uhfffaoysa n
  • <12,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
  • <17,18;Reduction;R3>
  • <17,19;Reduction;R3>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,H;Hydroxylation;R1>
  • <13,7;EpOxidation;R2>
  • <14,H;Hydroxylation;R3>
CC022601-PPMrbfgehilmyptf uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <4,H;Hydroxylation;R1>
  • Not Available
  • Not Available
CC0215511-Oxo-delta8-tetrahydrocannabinolBgibnwzalwrthr irxdydnusa n
  • Not Available
  • Not Available
  • Not Available
  • <17,H;Hydroxylation;R1>
  • <17,H;Hydroxylation;R1>
  • <17,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • <17,H;Hydroxylation;R1>
CC0180113-cis-Retinoic acidShgazhpcjjphsc xfyacqkrsa n
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R1>
CC0215618-MethoxycoronaridineDtjqbbhyrqydeg rlhiphhxsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • Not Available
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
CC021572'-Hydroxy-indomethacin-phenethylamideAoiqkshkqijfmk ruzdidtesa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <20,16;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,16;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • Not Available
  • <27,28;Oxidation;R1>
CC020732,2',4,5,5'-PentachlorobiphenylLahwledbadhjga uhfffaoysa n
  • Not Available
  • <14,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <14,H;Hydroxylation;R1>
CC021142,2,4,4,5,5-HexachlorobiphenylMvwhgtykumdihl uhfffaoysa n
  • Not Available
  • Not Available
  • <4,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC020752,6-DichlorobenzonitrilieYoyaizyfcnqirf uhfffaoysa n
  • Not Available
  • <6,H;Hydroxylation;R1>
  • <7,H;Hydroxylation;R2>
  • <8,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC018042-AcetylaminofluoreneCzihnrwjtstcex uhfffaoysa n
  • <1,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R2>
  • <10,H;Hydroxylation;R3>
  • <11,H;Hydroxylation;R4>
  • <15,H;Hydroxylation;R5>
  • <17,H;Hydroxylation;R6>
  • (show allshow less)
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC018052-AcetylbenzothiopheneSgsgcqgcvkwrnm uhfffaoysa n
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • Not Available
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
  • <5,S;S-Oxidation;R1>
CC020742-MethoxyacetophenoneDwpleopkbwnpqv uhfffaoysa n
  • Not Available
  • <11,10;Cleavage;R1>
  • <11,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC022612-MethoxyamphetamineVbahfepkesupde mrvpvssysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <5,H;Hydroxylation;R1>
  • <6,H;Hydroxylation;R2>
  • <12,11;Cleavage;R3>
  • <12,H;Oxidation;R3>
  • Not Available
  • Not Available
CC018062-NaphthylamineJbijlhtvpxgsam uhfffaoysa n
  • <1,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC018072-NitropyreneMazcgyfiooivhe uhfffaoysa n
  • <8,H;Hydroxylation;R1>
  • <5,6;EpOxidation;R2>
  • <19,17;Reduction;R3>
  • <19,18;Reduction;R3>
  • <12,13;EpOxidation;R4>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC021152-Oxo-clopidogrelAzrudpjzbrjphu hnnxbmfysa n
  • Not Available
  • Not Available
  • <2,15;Cleavage;R1>
  • Not Available
  • <2,15;Cleavage;R1>
  • <2,15;Cleavage;R1>
  • Not Available
  • Not Available
  • <2,15;Cleavage;R1>
CC022482-OxoquazepamYfsxbsrgirsxad uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,3;Cleavage;R1>
  • <8,H;Oxidation;R1>
  • <13,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • Not Available
  • <8,3;Cleavage;R1>
  • <8,H;Oxidation;R1>
  • <13,H;Hydroxylation;R2>
CC020762n-PropylquinolineIzxjpgloyydhrm uhfffaoysa n
  • Not Available
  • <13,H;Hydroxylation;R1>
  • <11,H;Hydroxylation;R2>
  • Not Available
  • Not Available
  • <3,4;EpOxidation;R1>
  • <5,6;EpOxidation;R2>
  • <13,H;Hydroxylation;R3>
  • <11,H;Hydroxylation;R4>
  • <13,H;Hydroxylation;R1>
  • <11,H;Hydroxylation;R2>
  • Not Available
  • <3,4;EpOxidation;R1>
  • <5,6;EpOxidation;R2>
  • <13,H;Hydroxylation;R3>
  • <3,4;EpOxidation;R1>
  • <5,6;EpOxidation;R2>
  • <13,H;Hydroxylation;R3>
  • <11,H;Hydroxylation;R4>
  • <5,H;Hydroxylation;R5>
  • <6,H;Hydroxylation;R6>
  • <7,H;Hydroxylation;R7>
  • <9,H;Hydroxylation;R8>
  • (show allshow less)
Displaying compounds 1 - 25 of 679 in total